tris[3,5-bis(trifluoromethyl)phenyl]-(4-hydroxyphenyl)boranuide

Systemtic Name: tris[3,5-bis(trifluoromethyl)phenyl]-(4-hydroxyphenyl)boranuide Openeye Name: tris[3,5-bis(trifluoromethyl)phenyl]-(4-hydroxyphenyl)boranuide CAS Name: tris[3,5-bis(trifluoromethyl)phenyl]-(4-hydroxyphenyl)boranuide IUPAC Name: tris[3,5-bis(trifluoromethyl)phenyl]-(4-hydroxyphenyl)boranuide Traditional Name: tris[3,5-bis(trifluoromethyl)phenyl]-(4-hydroxyphenyl)boranuide Formula: C30H14BF18O- MolecularWeight: 743.213818

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=C(C=C1)O)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

[B-](C1=CC=C(C=C1)O)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C30H14BF18O/c32-25(33,34)14-5-15(26(35,36)37)9-21(8-14)31(20-1-3-24(50)4-2-20,22-10-16(27(38,39)40)6-17(11-22)28(41,42)43)23-12-18(29(44,45)46)7-19(13-23)30(47,48)49/h1-13,50H/q-1